N,N-diethyl-3,5-dimethyl-1-(2-nitrobenzoyl)-1H-pyrazole-4-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-3,5-dimethyl-1-(2-nitrobenzoyl)-1H-pyrazole-4-sulfonamide
N,N-diethyl-3,5-dimethyl-1-(2-nitrobenzoyl)-1H-pyrazole-4-sulfonamide
Compound characteristics
| Compound ID: | G680-0418 |
| Compound Name: | N,N-diethyl-3,5-dimethyl-1-(2-nitrobenzoyl)-1H-pyrazole-4-sulfonamide |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C16 H20 N4 O5 S |
| Smiles: | CCN(CC)S(c1c(C)nn(C(c2ccccc2[N+]([O-])=O)=O)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9187 |
| logD: | 0.9187 |
| logSw: | -2.4411 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.029 |
| InChI Key: | JWNQRDPIKZVFFR-UHFFFAOYSA-N |